2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine

C20H16F3N3 — CID 18752118

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccc2c3c(cccc13)CC2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3/c21-20(22,23)14-7-9-15(10-8-14)25-19(24)26-17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H3,24,25,26)
InChIKeyYBUVQRRRYZDILB-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.02
Rot. Bonds2

About 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine

2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine (PubChem CID 18752118) has the molecular formula C20H16F3N3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine
PubChem CID18752118
Molecular FormulaC20H16F3N3
Molecular Weight355.36 g/mol
Exact Mass355.13
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccc2c3c(cccc13)CC2)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3/c21-20(22,23)14-7-9-15(10-8-14)25-19(24)26-17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H3,24,25,26)
InChIKeyYBUVQRRRYZDILB-UHFFFAOYSA-N
XLogP5.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
CID 169369135
1,2-bis(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 18751924
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 22120056
2-(2-methylpropyl)-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378704
2-naphthalen-1-yl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751670
(1Z)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-benzylguanidine
CID 21492920
(1E)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-cyclooctylguanidine
CID 21492926
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-[3-(trifluoromethyl)phenyl]guanidine
CID 174364241
N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23940641
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
4-oxo-N-[4-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132534

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine (CID 18752118) is 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine is N/C(=N\c1ccc2c3c(cccc13)CC2)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine?
The InChIKey is YBUVQRRRYZDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3/c21-20(22,23)14-7-9-15(10-8-14)25-19(24)26-17-11-6-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H3,24,25,26).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine?
2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine has a molecular weight of 355.36 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 18752118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).